installation of vasp.4.6
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installation of vasp.4.6
Hi vasp users and admin. I am a student novice to linux based systems. So don't have much knowledge about compilation. however i have tried to install vasp through lots of reading but got stuck in one step.please help me out.i have made changes in makefile to give path to BLAS and LAPACK but dont knw y its not working.
here is my makefile
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for Intel Fortran compiler for P4 systems
#
# The makefile was tested only under Linux on Intel platforms
# (Suse 5.3- Suse 9.0)
# the followin compiler versions have been tested
# 5.0, 6.0, 7.0 and 7.1 (some 8.0 versions seem to fail compiling the code)
# presently we recommend version 7.1 or 7.0, since these
# releases have been used to compile the present code versions
#
# it might be required to change some of library pathes, since
# LINUX installation vary a lot
# Hence check ***ALL**** options in this makefile very carefully
#-----------------------------------------------------------------------
#
# BLAS must be installed on the machine
# there are several options:
# 1) very slow but works:
# retrieve the lapackage from ftp.netlib.org
# and compile the blas routines (BLAS/SRC directory)
# please use g77 or f77 for the compilation. When I tried to
# use pgf77 or pgf90 for BLAS, VASP hang up when calling
# ZHEEV (however this was with lapack 1.1 now I use lapack 2.0)
# 2) most desirable: get an optimized BLAS
#
# the two most reliable packages around are presently:
# 3a) Intels own optimised BLAS (PIII, P4, Itanium)
# http://developer.intel.com/software/products/mkl/
# this is really excellent when you use Intel CPU's
#
# 3b) or obtain the atlas based BLAS routines
# http://math-atlas.sourceforge.net/
# you certainly need atlas on the Athlon, since the mkl
# routines are not optimal on the Athlon.
# If you want to use atlas based BLAS, check the lines around LIB=
#
# 3c) mindblowing fast SSE2 (4 GFlops on P4, 2.53 GHz)
# Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#
#-----------------------------------------------------------------------
# all CPP processed fortran files have the extension .f90
SUFFIX=.f90
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=/opt/intel/fc/10.1.015/bin/ifort
# fortran linker
FCL=$(FC)
#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
# CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
# CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
# SUSE X.X, maybe some Red Hat distributions:
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# IFC work around some IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# general fortran flags (there must a trailing blank on this line)
#-----------------------------------------------------------------------
FFLAGS = -FR -lowercase -assume byterecl
#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK SSE1 optimization, but also generate code executable on all mach.
# xK improves performance somewhat on XP, and a is required in order
# to run the code on older Athlons as well
# -xW SSE2 optimization
# -axW SSE2 optimization, but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------
OFLAG=-O3 -xW -tpp7
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)
#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# on P4, VASP works fastest with the libgoto library
# so that's what I recommend
#-----------------------------------------------------------------------
# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas
# use specific libraries (default library path might point to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a
# use the mkl Intel libraries for p4 (www.intel.com)
# mkl.5.1
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lguide -lpthread
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
BLAS= /opt/libs/libgoto/libgoto_p4_512-r0.6.so
# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= /home/vasp/src/vasp.4.lib/lapack_double.o
# use atlas optimized part of lapack
#LAPACK= /home/vasp/src/vasp.4.lib/lapack_atlas.o -llapack -lcblas
# use the mkl Intel lapack
#LAPACK= -lmkl_lapack
#-----------------------------------------------------------------------
LIB = -L../vasp.4.lib -ldmy \
/home/vasp/src/vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK =
# compiler version 7.0 generates some vector statments which are located
# in the svml library, add the LIBPATH and the library (just in case)
#LINK = -L/opt/intel/compiler70/ia32/lib/ -lsvml
#-----------------------------------------------------------------------
# fft libraries:
# VASP.4.6 can use fftw.3.0.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------
#FFT3D = fft3dfurth.o fft3dlib.o
FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77
# appends *two* underscores to symbols that contain already an
# underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
# ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \
# -f90="pgf90 " \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
# ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above, you can use the following line
#-----------------------------------------------------------------------
#FC=/opt/intel/
#FCL=$(FC)
#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------
#CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \
# -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
# -DMPI_BLOCK=500 \
## -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------
BLACS=$(HOME)/archives/SCALAPACK/BLACS/
SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK
SCA= $(SCA_)/libscalapack.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a
SCA=
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------
#LIB = -L home/vasp/src/vasp.4.lib -ldmy \
# ../vasp.4.lib/linpack_double.o $(LAPACK) \
# $(SCA) $(BLAS)
# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
# fftw.3.0.1 is slighly faster and should be used if available
#FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o
SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o setex.o radial.o \
pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \
nonl.o nonlr.o dfast.o choleski2.o \
mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \
tet.o hamil.o steep.o \
chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \
ebs.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \
edtest.o electron.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o \
elpol.o setlocalpp.o aedens.o
INC=
vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp
$(FCL) -o vasp $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)
clean:
-rm -f *.g *.f *.o *.L *.mod ; touch *.F
main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)
makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)
makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F
$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)
fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)
.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
# in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------
fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -tpp7 -xW -unroll0 -e95 -vec_report3 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -FR -lowercase -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
wen i gv "make" command in vasp.4.6 it shows the following error:
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12726): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x127f7): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12843): In function `dlatrd_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x128a7): In function `dlatrd_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x12943): In function `dlatrd_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x12a42): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12b11): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12cc1): In function `dlatrd_':
: undefined reference to `dsymv_'
../vasp.4.lib/lapack_double.o(.text+0x12d87): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12e4d): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12f13): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12fd9): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x13031): In function `dlatrd_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x130a7): In function `dlatrd_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x13155): In function `dlatrd_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x133d8): In function `dsytd2_':
: undefined reference to `dsymv_'
../vasp.4.lib/lapack_double.o(.text+0x13420): In function `dsytd2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x1348d): In function `dsytd2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x134fa): In function `dsytd2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x13741): In function `dsytd2_':
: undefined reference to `dsymv_'
../vasp.4.lib/lapack_double.o(.text+0x137a1): In function `dsytd2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x13826): In function `dsytd2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x138ca): In function `dsytd2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x1710b): In function `zpotf2_':
: undefined reference to `zdotc_'
../vasp.4.lib/lapack_double.o(.text+0x17368): In function `zpotf2_':
: undefined reference to `zgemv_'
../vasp.4.lib/lapack_double.o(.text+0x1740c): In function `zpotf2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x174b3): In function `zpotf2_':
: undefined reference to `zdotc_'
../vasp.4.lib/lapack_double.o(.text+0x17710): In function `zpotf2_':
: undefined reference to `zgemv_'
../vasp.4.lib/lapack_double.o(.text+0x177ba): In function `zpotf2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x17a99): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x17c06): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x17cd5): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x17d65): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x17e70): In function `zhegs2_':
: undefined reference to `ztrsv_'
../vasp.4.lib/lapack_double.o(.text+0x18035): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x180f2): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x181bb): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x18245): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x182f5): In function `zhegs2_':
: undefined reference to `ztrsv_'
../vasp.4.lib/lapack_double.o(.text+0x183fd): In function `zhegs2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x1849c): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x18525): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x18593): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x185d8): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x18791): In function `zhegs2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x18880): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x18915): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x1898f): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x18a1e): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x1a03b): In function `zhetrd_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x1a335): In function `zhetrd_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x1d540): In function `zsteqr_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x20a14): In function `dpotf2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x20b9e): In function `dpotf2_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x20bfb): In function `dpotf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x20c95): In function `dpotf2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x20e21): In function `dpotf2_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x20e7c): In function `dpotf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2110f): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x211a6): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x2126a): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x212eb): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21393): In function `dsygs2_':
: undefined reference to `dtrsv_'
../vasp.4.lib/lapack_double.o(.text+0x214b5): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x21542): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x215fc): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x21679): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x2171f): In function `dsygs2_':
: undefined reference to `dtrsv_'
../vasp.4.lib/lapack_double.o(.text+0x21821): In function `dsygs2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x2189a): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21923): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x2198e): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x219d3): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x21afc): In function `dsygs2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x21b7b): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21c0a): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x21c7b): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21cc3): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x22219): In function `dsytrd_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x224a9): In function `dsytrd_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x24387): In function `dsteqr_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x2881a): In function `ztrti2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x2885f): In function `ztrti2_':
: undefined reference to `zscal_'
../vasp.4.lib/lapack_double.o(.text+0x28ad3): In function `ztrti2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x28b29): In function `ztrti2_':
: undefined reference to `zscal_'
../vasp.4.lib/lapack_double.o(.text+0x28dfa): In function `zpotrf_':
: undefined reference to `zherk_'
../vasp.4.lib/lapack_double.o(.text+0x28f5e): In function `zpotrf_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x29036): In function `zpotrf_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x29163): In function `zpotrf_':
: undefined reference to `zherk_'
../vasp.4.lib/lapack_double.o(.text+0x292d3): In function `zpotrf_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x293a7): In function `zpotrf_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x297f3): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x298f7): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x29a08): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x29b0c): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x29bff): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x29e0f): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x29f11): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a020): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x2a122): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a214): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2a347): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2a411): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a4ba): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x2a584): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a641): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2a7f9): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2a8d1): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a988): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x2aa60): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2ab24): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2b393): In function `zheev_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2d1da): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x2d224): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x2d26d): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x2d315): In function `dstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x2d397): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2d4c6): In function `dstein_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x2d53d): In function `dstein_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x2d577): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x2d60f): In function `dstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x2d651): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x2d6bc): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2e35b): In function `dpotrf_':
: undefined reference to `dsyrk_'
../vasp.4.lib/lapack_double.o(.text+0x2e4b9): In function `dpotrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x2e58b): In function `dpotrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2e6b2): In function `dpotrf_':
: undefined reference to `dsyrk_'
../vasp.4.lib/lapack_double.o(.text+0x2e816): In function `dpotrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x2e8e4): In function `dpotrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2ed25): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2ee20): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2ef28): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2f023): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f110): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2f314): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2f40d): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f513): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2f60c): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f6f8): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2f82b): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2f8f2): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f99b): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2fa62): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2fb1c): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2fccb): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2fd9a): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2fe4b): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2ff1a): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2ffd8): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x30797): In function `dsyev_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x30a3a): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x30a7f): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x30be4): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x30c35): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x31380): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x31400): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x31490): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x314ed): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x318be): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x31921): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x31acc): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x31b04): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x31b5c): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x31baf): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x31f44): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x31f9f): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x32154): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x321bd): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x32390): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3242c): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x32674): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x326df): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x32974): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x329da): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x32a59): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x32a9e): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x336c1): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x3374d): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x337c1): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x338e6): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x3395a): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x339ce): more undefined references to `drot_' follow
../vasp.4.lib/lapack_double.o(.text+0x3bc1a): In function `dtgevc_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x3e2ee): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e366): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e498): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e56f): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e645): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e71c): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e86b): In function `dgetf2_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3e927): In function `dgetf2_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e9b2): In function `dgetf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3eaa1): In function `dgetf2_':
: undefined reference to `dger_'
../vasp.4.lib/lapack_double.o(.text+0x3f6c0): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x3f70a): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x3f753): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x3f7fb): In function `zstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x3f883): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3fab2): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3fb4a): In function `zstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x3fb8c): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3fbf7): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4081c): In function `zgetf2_':
: undefined reference to `izamax_'
../vasp.4.lib/lapack_double.o(.text+0x40932): In function `zgetf2_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x40a42): In function `zgetf2_':
: undefined reference to `zscal_'
../vasp.4.lib/lapack_double.o(.text+0x40b3e): In function `zgetf2_':
: undefined reference to `zgeru_'
../vasp.4.lib/lapack_double.o(.text+0x414ed): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x415a7): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x417bd): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x4189f): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x42001): In function `zhegv_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x420ad): In function `zhegv_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x428e2): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x42960): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x42b47): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x42bb2): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x42cd2): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x43071): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4322b): In function `dsyevx_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x43717): In function `dsygv_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x437c3): In function `dsygv_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x43bf9): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x43cb0): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x43ebd): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x43f99): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x46584): In function `dgetrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x466a1): In function `dgetrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x468ff): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4697b): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x469fc): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x46a75): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4736b): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x473ed): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x475fb): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x47669): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x47798): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x47b2c): In function `zheevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x47ce6): In function `zheevx_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x48217): In function `zgetrf_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4833d): In function `zgetrf_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x4881c): In function `zgetri_':
: undefined reference to `zgemv_'
../vasp.4.lib/lapack_double.o(.text+0x48b28): In function `zgetri_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x48bc5): In function `zgetri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x48c70): In function `zgetri_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x48ee9): In function `zgetrs_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x48f65): In function `zgetrs_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x48fe5): In function `zgetrs_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4905d): In function `zgetrs_':
: undefined reference to `ztrsm_'
make: *** [vasp] Error 1
please help me out
here is my makefile
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for Intel Fortran compiler for P4 systems
#
# The makefile was tested only under Linux on Intel platforms
# (Suse 5.3- Suse 9.0)
# the followin compiler versions have been tested
# 5.0, 6.0, 7.0 and 7.1 (some 8.0 versions seem to fail compiling the code)
# presently we recommend version 7.1 or 7.0, since these
# releases have been used to compile the present code versions
#
# it might be required to change some of library pathes, since
# LINUX installation vary a lot
# Hence check ***ALL**** options in this makefile very carefully
#-----------------------------------------------------------------------
#
# BLAS must be installed on the machine
# there are several options:
# 1) very slow but works:
# retrieve the lapackage from ftp.netlib.org
# and compile the blas routines (BLAS/SRC directory)
# please use g77 or f77 for the compilation. When I tried to
# use pgf77 or pgf90 for BLAS, VASP hang up when calling
# ZHEEV (however this was with lapack 1.1 now I use lapack 2.0)
# 2) most desirable: get an optimized BLAS
#
# the two most reliable packages around are presently:
# 3a) Intels own optimised BLAS (PIII, P4, Itanium)
# http://developer.intel.com/software/products/mkl/
# this is really excellent when you use Intel CPU's
#
# 3b) or obtain the atlas based BLAS routines
# http://math-atlas.sourceforge.net/
# you certainly need atlas on the Athlon, since the mkl
# routines are not optimal on the Athlon.
# If you want to use atlas based BLAS, check the lines around LIB=
#
# 3c) mindblowing fast SSE2 (4 GFlops on P4, 2.53 GHz)
# Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
#
#-----------------------------------------------------------------------
# all CPP processed fortran files have the extension .f90
SUFFIX=.f90
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=/opt/intel/fc/10.1.015/bin/ifort
# fortran linker
FCL=$(FC)
#-----------------------------------------------------------------------
# whereis CPP ?? (I need CPP, can't use gcc with proper options)
# that's the location of gcc for SUSE 5.3
#
# CPP_ = /usr/lib/gcc-lib/i486-linux/2.7.2/cpp -P -C
#
# that's probably the right line for some Red Hat distribution:
#
# CPP_ = /usr/lib/gcc-lib/i386-redhat-linux/2.7.2.3/cpp -P -C
#
# SUSE X.X, maybe some Red Hat distributions:
CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)
#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# IFC work around some IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
#-----------------------------------------------------------------------
CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
# -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# general fortran flags (there must a trailing blank on this line)
#-----------------------------------------------------------------------
FFLAGS = -FR -lowercase -assume byterecl
#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK SSE1 optimization, but also generate code executable on all mach.
# xK improves performance somewhat on XP, and a is required in order
# to run the code on older Athlons as well
# -xW SSE2 optimization
# -axW SSE2 optimization, but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------
OFLAG=-O3 -xW -tpp7
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)
#-----------------------------------------------------------------------
# the following lines specify the position of BLAS and LAPACK
# on P4, VASP works fastest with the libgoto library
# so that's what I recommend
#-----------------------------------------------------------------------
# Atlas based libraries
#ATLASHOME= $(HOME)/archives/BLAS_OPT/ATLAS/lib/Linux_P4SSE2/
#BLAS= -L$(ATLASHOME) -lf77blas -latlas
# use specific libraries (default library path might point to other libraries)
#BLAS= $(ATLASHOME)/libf77blas.a $(ATLASHOME)/libatlas.a
# use the mkl Intel libraries for p4 (www.intel.com)
# mkl.5.1
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lpthread
# mkl.5.2 requires also to -lguide library
# set -DRPROMU_DGEMV -DRACCMU_DGEMV in the CPP lines
#BLAS=-L/opt/intel/mkl/lib/32 -lmkl_p4 -lguide -lpthread
# even faster Kazushige Goto's BLAS
# http://www.cs.utexas.edu/users/kgoto/signup_first.html
BLAS= /opt/libs/libgoto/libgoto_p4_512-r0.6.so
# LAPACK, simplest use vasp.4.lib/lapack_double
LAPACK= /home/vasp/src/vasp.4.lib/lapack_double.o
# use atlas optimized part of lapack
#LAPACK= /home/vasp/src/vasp.4.lib/lapack_atlas.o -llapack -lcblas
# use the mkl Intel lapack
#LAPACK= -lmkl_lapack
#-----------------------------------------------------------------------
LIB = -L../vasp.4.lib -ldmy \
/home/vasp/src/vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)
# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK =
# compiler version 7.0 generates some vector statments which are located
# in the svml library, add the LIBPATH and the library (just in case)
#LINK = -L/opt/intel/compiler70/ia32/lib/ -lsvml
#-----------------------------------------------------------------------
# fft libraries:
# VASP.4.6 can use fftw.3.0.X (http://www.fftw.org)
# since this version is faster on P4 machines, we recommend to use it
#-----------------------------------------------------------------------
#FFT3D = fft3dfurth.o fft3dlib.o
FFT3D = fftw3d.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#=======================================================================
# MPI section, uncomment the following lines
#
# one comment for users of mpich or lam:
# You must *not* compile mpi with g77/f77, because f77/g77
# appends *two* underscores to symbols that contain already an
# underscore (i.e. MPI_SEND becomes mpi_send__). The pgf90/ifc
# compilers however append only one underscore.
# Precompiled mpi version will also not work !!!
#
# We found that mpich.1.2.1 and lam-6.5.X to lam-7.0.4 are stable
# mpich.1.2.1 was configured with
# ./configure -prefix=/usr/local/mpich_nodvdbg -fc="pgf77 -Mx,119,0x200000" \
# -f90="pgf90 " \
# --without-romio --without-mpe -opt=-O \
#
# lam was configured with the line
# ./configure -prefix /opt/libs/lam-7.0.4 --with-cflags=-O -with-fc=ifc \
# --with-f77flags=-O --without-romio
#
# please note that you might be able to use a lam or mpich version
# compiled with f77/g77, but then you need to add the following
# options: -Msecond_underscore (compilation) and -g77libs (linking)
#
# !!! Please do not send me any queries on how to install MPI, I will
# certainly not answer them !!!!
#=======================================================================
#-----------------------------------------------------------------------
# fortran linker for mpi: if you use LAM and compiled it with the options
# suggested above, you can use the following line
#-----------------------------------------------------------------------
#FC=/opt/intel/
#FCL=$(FC)
#-----------------------------------------------------------------------
# additional options for CPP in parallel version (see also above):
# NGZhalf charge density reduced in Z direction
# wNGZhalf gamma point only reduced in Z direction
# scaLAPACK use scaLAPACK (usually slower on 100 Mbit Net)
#-----------------------------------------------------------------------
#CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC \
# -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \
# -DMPI_BLOCK=500 \
## -DRPROMU_DGEMV -DRACCMU_DGEMV
#-----------------------------------------------------------------------
# location of SCALAPACK
# if you do not use SCALAPACK simply uncomment the line SCA
#-----------------------------------------------------------------------
BLACS=$(HOME)/archives/SCALAPACK/BLACS/
SCA_=$(HOME)/archives/SCALAPACK/SCALAPACK
SCA= $(SCA_)/libscalapack.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a
SCA=
#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------
#LIB = -L home/vasp/src/vasp.4.lib -ldmy \
# ../vasp.4.lib/linpack_double.o $(LAPACK) \
# $(SCA) $(BLAS)
# FFT: fftmpi.o with fft3dlib of Juergen Furthmueller
#FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
# fftw.3.0.1 is slighly faster and should be used if available
#FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /opt/libs/fftw-3.0.1/lib/libfftw3.a
#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o
SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o setex.o radial.o \
pseudo.o mgrid.o mkpoints.o wave.o wave_mpi.o $(BASIC) \
nonl.o nonlr.o dfast.o choleski2.o \
mix.o charge.o xcgrad.o xcspin.o potex1.o potex2.o \
metagga.o constrmag.o pot.o cl_shift.o force.o dos.o elf.o \
tet.o hamil.o steep.o \
chain.o dyna.o relativistic.o LDApU.o sphpro.o paw.o us.o \
ebs.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
dipol.o xclib.o chgloc.o subrot.o optreal.o davidson.o \
edtest.o electron.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o \
elpol.o setlocalpp.o aedens.o
INC=
vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp
$(FCL) -o vasp $(LINK) main.o $(SOURCE) $(FFT3D) $(LIB)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIB)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIB)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIB)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $(LIB)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIB)
clean:
-rm -f *.g *.f *.o *.L *.mod ; touch *.F
main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)
makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)
makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
poscar.o: poscar.inc poscar.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.inc wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F
$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)
fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)
.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
# special rules
#-----------------------------------------------------------------------
# these special rules are cummulative (that is once failed
# in one compiler version, stays in the list forever)
# -tpp5|6|7 P, PII-PIII, PIV
# -xW use SIMD (does not pay of on PII, since fft3d uses double prec)
# all other options do no affect the code performance since -O1 is used
#-----------------------------------------------------------------------
fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -tpp7 -xW -unroll0 -e95 -vec_report3 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
radial.o : radial.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symlib.o : symlib.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
symmetry.o : symmetry.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
dynbr.o : dynbr.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
broyden.o : broyden.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
wave.o : wave.F
$(CPP)
$(FC) -FR -lowercase -O0 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
wen i gv "make" command in vasp.4.6 it shows the following error:
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12726): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x127f7): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12843): In function `dlatrd_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x128a7): In function `dlatrd_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x12943): In function `dlatrd_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x12a42): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12b11): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12cc1): In function `dlatrd_':
: undefined reference to `dsymv_'
../vasp.4.lib/lapack_double.o(.text+0x12d87): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12e4d): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12f13): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x12fd9): In function `dlatrd_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x13031): In function `dlatrd_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x130a7): In function `dlatrd_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x13155): In function `dlatrd_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x133d8): In function `dsytd2_':
: undefined reference to `dsymv_'
../vasp.4.lib/lapack_double.o(.text+0x13420): In function `dsytd2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x1348d): In function `dsytd2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x134fa): In function `dsytd2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x13741): In function `dsytd2_':
: undefined reference to `dsymv_'
../vasp.4.lib/lapack_double.o(.text+0x137a1): In function `dsytd2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x13826): In function `dsytd2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x138ca): In function `dsytd2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x1710b): In function `zpotf2_':
: undefined reference to `zdotc_'
../vasp.4.lib/lapack_double.o(.text+0x17368): In function `zpotf2_':
: undefined reference to `zgemv_'
../vasp.4.lib/lapack_double.o(.text+0x1740c): In function `zpotf2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x174b3): In function `zpotf2_':
: undefined reference to `zdotc_'
../vasp.4.lib/lapack_double.o(.text+0x17710): In function `zpotf2_':
: undefined reference to `zgemv_'
../vasp.4.lib/lapack_double.o(.text+0x177ba): In function `zpotf2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x17a99): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x17c06): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x17cd5): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x17d65): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x17e70): In function `zhegs2_':
: undefined reference to `ztrsv_'
../vasp.4.lib/lapack_double.o(.text+0x18035): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x180f2): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x181bb): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x18245): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x182f5): In function `zhegs2_':
: undefined reference to `ztrsv_'
../vasp.4.lib/lapack_double.o(.text+0x183fd): In function `zhegs2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x1849c): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x18525): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x18593): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x185d8): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x18791): In function `zhegs2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x18880): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x18915): In function `zhegs2_':
: undefined reference to `zher2_'
../vasp.4.lib/lapack_double.o(.text+0x1898f): In function `zhegs2_':
: undefined reference to `zaxpy_'
../vasp.4.lib/lapack_double.o(.text+0x18a1e): In function `zhegs2_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x1a03b): In function `zhetrd_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x1a335): In function `zhetrd_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x1d540): In function `zsteqr_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x20a14): In function `dpotf2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x20b9e): In function `dpotf2_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x20bfb): In function `dpotf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x20c95): In function `dpotf2_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x20e21): In function `dpotf2_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x20e7c): In function `dpotf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2110f): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x211a6): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x2126a): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x212eb): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21393): In function `dsygs2_':
: undefined reference to `dtrsv_'
../vasp.4.lib/lapack_double.o(.text+0x214b5): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x21542): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x215fc): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x21679): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x2171f): In function `dsygs2_':
: undefined reference to `dtrsv_'
../vasp.4.lib/lapack_double.o(.text+0x21821): In function `dsygs2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x2189a): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21923): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x2198e): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x219d3): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x21afc): In function `dsygs2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x21b7b): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21c0a): In function `dsygs2_':
: undefined reference to `dsyr2_'
../vasp.4.lib/lapack_double.o(.text+0x21c7b): In function `dsygs2_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x21cc3): In function `dsygs2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x22219): In function `dsytrd_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x224a9): In function `dsytrd_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x24387): In function `dsteqr_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x2881a): In function `ztrti2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x2885f): In function `ztrti2_':
: undefined reference to `zscal_'
../vasp.4.lib/lapack_double.o(.text+0x28ad3): In function `ztrti2_':
: undefined reference to `ztrmv_'
../vasp.4.lib/lapack_double.o(.text+0x28b29): In function `ztrti2_':
: undefined reference to `zscal_'
../vasp.4.lib/lapack_double.o(.text+0x28dfa): In function `zpotrf_':
: undefined reference to `zherk_'
../vasp.4.lib/lapack_double.o(.text+0x28f5e): In function `zpotrf_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x29036): In function `zpotrf_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x29163): In function `zpotrf_':
: undefined reference to `zherk_'
../vasp.4.lib/lapack_double.o(.text+0x292d3): In function `zpotrf_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x293a7): In function `zpotrf_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x297f3): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x298f7): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x29a08): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x29b0c): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x29bff): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x29e0f): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x29f11): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a020): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x2a122): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a214): In function `zhegst_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2a347): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2a411): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a4ba): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x2a584): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a641): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2a7f9): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2a8d1): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2a988): In function `zhegst_':
: undefined reference to `zher2k_'
../vasp.4.lib/lapack_double.o(.text+0x2aa60): In function `zhegst_':
: undefined reference to `zhemm_'
../vasp.4.lib/lapack_double.o(.text+0x2ab24): In function `zhegst_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2b393): In function `zheev_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2d1da): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x2d224): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x2d26d): In function `dstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x2d315): In function `dstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x2d397): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2d4c6): In function `dstein_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x2d53d): In function `dstein_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x2d577): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x2d60f): In function `dstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x2d651): In function `dstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x2d6bc): In function `dstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x2e35b): In function `dpotrf_':
: undefined reference to `dsyrk_'
../vasp.4.lib/lapack_double.o(.text+0x2e4b9): In function `dpotrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x2e58b): In function `dpotrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2e6b2): In function `dpotrf_':
: undefined reference to `dsyrk_'
../vasp.4.lib/lapack_double.o(.text+0x2e816): In function `dpotrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x2e8e4): In function `dpotrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2ed25): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2ee20): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2ef28): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2f023): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f110): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2f314): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2f40d): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f513): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2f60c): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f6f8): In function `dsygst_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x2f82b): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2f8f2): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2f99b): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2fa62): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2fb1c): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2fccb): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x2fd9a): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2fe4b): In function `dsygst_':
: undefined reference to `dsyr2k_'
../vasp.4.lib/lapack_double.o(.text+0x2ff1a): In function `dsygst_':
: undefined reference to `dsymm_'
../vasp.4.lib/lapack_double.o(.text+0x2ffd8): In function `dsygst_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x30797): In function `dsyev_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x30a3a): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x30a7f): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x30be4): In function `dtrti2_':
: undefined reference to `dtrmv_'
../vasp.4.lib/lapack_double.o(.text+0x30c35): In function `dtrti2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x31380): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x31400): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x31490): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x314ed): In function `dggbal_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x318be): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x31921): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x31acc): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x31b04): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x31b5c): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x31baf): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x31f44): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x31f9f): In function `dggbal_':
: undefined reference to `ddot_'
../vasp.4.lib/lapack_double.o(.text+0x32154): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x321bd): In function `dggbal_':
: undefined reference to `daxpy_'
../vasp.4.lib/lapack_double.o(.text+0x32390): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3242c): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x32674): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x326df): In function `dggbal_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x32974): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x329da): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x32a59): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x32a9e): In function `dggbal_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x336c1): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x3374d): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x337c1): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x338e6): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x3395a): In function `dgghrd_':
: undefined reference to `drot_'
../vasp.4.lib/lapack_double.o(.text+0x339ce): more undefined references to `drot_' follow
../vasp.4.lib/lapack_double.o(.text+0x3bc1a): In function `dtgevc_':
: undefined reference to `dgemv_'
../vasp.4.lib/lapack_double.o(.text+0x3e2ee): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e366): In function `dggbak_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3e498): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e56f): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e645): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e71c): In function `dggbak_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e86b): In function `dgetf2_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3e927): In function `dgetf2_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x3e9b2): In function `dgetf2_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3eaa1): In function `dgetf2_':
: undefined reference to `dger_'
../vasp.4.lib/lapack_double.o(.text+0x3f6c0): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x3f70a): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x3f753): In function `zstein_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x3f7fb): In function `zstein_':
: undefined reference to `dasum_'
../vasp.4.lib/lapack_double.o(.text+0x3f883): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x3fab2): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3fb4a): In function `zstein_':
: undefined reference to `dnrm2_'
../vasp.4.lib/lapack_double.o(.text+0x3fb8c): In function `zstein_':
: undefined reference to `idamax_'
../vasp.4.lib/lapack_double.o(.text+0x3fbf7): In function `zstein_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4081c): In function `zgetf2_':
: undefined reference to `izamax_'
../vasp.4.lib/lapack_double.o(.text+0x40932): In function `zgetf2_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x40a42): In function `zgetf2_':
: undefined reference to `zscal_'
../vasp.4.lib/lapack_double.o(.text+0x40b3e): In function `zgetf2_':
: undefined reference to `zgeru_'
../vasp.4.lib/lapack_double.o(.text+0x414ed): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x415a7): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x417bd): In function `ztrtri_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x4189f): In function `ztrtri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x42001): In function `zhegv_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x420ad): In function `zhegv_':
: undefined reference to `ztrmm_'
../vasp.4.lib/lapack_double.o(.text+0x428e2): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x42960): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x42b47): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x42bb2): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x42cd2): In function `dsyevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x43071): In function `dsyevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x4322b): In function `dsyevx_':
: undefined reference to `dswap_'
../vasp.4.lib/lapack_double.o(.text+0x43717): In function `dsygv_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x437c3): In function `dsygv_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x43bf9): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x43cb0): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x43ebd): In function `dtrtri_':
: undefined reference to `dtrmm_'
../vasp.4.lib/lapack_double.o(.text+0x43f99): In function `dtrtri_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x46584): In function `dgetrf_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x466a1): In function `dgetrf_':
: undefined reference to `dgemm_'
../vasp.4.lib/lapack_double.o(.text+0x468ff): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4697b): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x469fc): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x46a75): In function `dgetrs_':
: undefined reference to `dtrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4736b): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x473ed): In function `zheevx_':
: undefined reference to `zdscal_'
../vasp.4.lib/lapack_double.o(.text+0x475fb): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x47669): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x47798): In function `zheevx_':
: undefined reference to `dcopy_'
../vasp.4.lib/lapack_double.o(.text+0x47b2c): In function `zheevx_':
: undefined reference to `dscal_'
../vasp.4.lib/lapack_double.o(.text+0x47ce6): In function `zheevx_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x48217): In function `zgetrf_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4833d): In function `zgetrf_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x4881c): In function `zgetri_':
: undefined reference to `zgemv_'
../vasp.4.lib/lapack_double.o(.text+0x48b28): In function `zgetri_':
: undefined reference to `zgemm_'
../vasp.4.lib/lapack_double.o(.text+0x48bc5): In function `zgetri_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x48c70): In function `zgetri_':
: undefined reference to `zswap_'
../vasp.4.lib/lapack_double.o(.text+0x48ee9): In function `zgetrs_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x48f65): In function `zgetrs_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x48fe5): In function `zgetrs_':
: undefined reference to `ztrsm_'
../vasp.4.lib/lapack_double.o(.text+0x4905d): In function `zgetrs_':
: undefined reference to `ztrsm_'
make: *** [vasp] Error 1
please help me out
Last edited by gaurav on Sat Jun 21, 2008 2:46 pm, edited 1 time in total.
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installation of vasp.4.6
these routines are all part of the BLAS, called from the lapack_double. please check if you really have installed K. Goto's
BLAS in /opt/libs/libgoto/libgoto_p4_512-r0.6.so and / or if it is compatible (compiler version, bit-mode,...)
BLAS in /opt/libs/libgoto/libgoto_p4_512-r0.6.so and / or if it is compatible (compiler version, bit-mode,...)
Last edited by admin on Mon Jun 23, 2008 3:46 pm, edited 1 time in total.
installation of vasp.4.6
Hello gaurav, hello admin,
I have exactly the same problem.
gaurav, have you found a solution?
I compiled vasp now hundred times with every possible change in the Makefile but I allways end up with the same problem.
Is there anything one can do wrong when compiling GOTOblas or the vasp.4.lib?
GOTOblas was compiled with the intel compilers.
Please help
I have exactly the same problem.
gaurav, have you found a solution?
I compiled vasp now hundred times with every possible change in the Makefile but I allways end up with the same problem.
Is there anything one can do wrong when compiling GOTOblas or the vasp.4.lib?
GOTOblas was compiled with the intel compilers.
Please help
Last edited by intrailnein on Mon Jun 30, 2008 10:11 pm, edited 1 time in total.
installation of vasp.4.6
...I succeeded in compiling a serial version using GOTOblas.
I also succeeded in compiling a parallel version now without these errors, but the the parallel vasp is unbelivable slow. So it does not seem to use blas in the correct way.
I also succeeded in compiling a parallel version now without these errors, but the the parallel vasp is unbelivable slow. So it does not seem to use blas in the correct way.
Last edited by intrailnein on Mon Jun 30, 2008 10:16 pm, edited 1 time in total.
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installation of vasp.4.6
hi intrailnein i downloaded goto blas from texas supercomputing site n compiled it but it is not making any file named llibgoto_p4_512-r0.6.so. please tell me hw u did it n if posiible plz send me the gotoblas u have on my email gauravnandrajog@gmail.com.eagerly waiting for ur reply
Last edited by gaurav on Tue Jul 08, 2008 9:33 pm, edited 1 time in total.
installation of vasp.4.6
hi gaurav, after u compiled blas you have to change to the "export" directory and say "make so" there.
Then the *.so library appears in your blas directory
Then the *.so library appears in your blas directory
Last edited by intrailnein on Fri Jul 11, 2008 5:58 pm, edited 1 time in total.
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installation of vasp.4.6
Hey intrailnein i tried it but it is showing errors in the last two steps i.e cd test;make and cd exports; make so. In both it is showing mane undefined reference errors. I think i have to make changes in Makefile.rule but dnt knw wat changes to make. itried it manier times but didnt worked. plz help me out
Last edited by gaurav on Sun Jul 13, 2008 4:09 pm, edited 1 time in total.
installation of vasp.4.6
Mhhh, Hi gaurav,
Ok, if you compile Blas using the quickbuild script, the steps "cd test/make" and "cd export/make so" are done by the script itself, so there is nothing to and the *.so libraries should be there.
If you do everything by hand, than you have to edit the makefile.rule as its described "02QuickInstall.txt".
Using the Quickbuild script worked fine for me.
<span class='smallblacktext'>[ Edited Mon Jul 14 2008, 05:12PM ]</span>
Ok, if you compile Blas using the quickbuild script, the steps "cd test/make" and "cd export/make so" are done by the script itself, so there is nothing to and the *.so libraries should be there.
If you do everything by hand, than you have to edit the makefile.rule as its described "02QuickInstall.txt".
Using the Quickbuild script worked fine for me.
<span class='smallblacktext'>[ Edited Mon Jul 14 2008, 05:12PM ]</span>
Last edited by Meister Krause on Mon Jul 14, 2008 3:10 pm, edited 1 time in total.